5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole

C13H13Cl2FN2 — CID 66110630

IUPAC5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)c(F)cc2n1C1CC1C
InChIInChI=1S/C13H13Cl2FN2/c1-6-3-11(6)18-12-5-9(16)8(15)4-10(12)17-13(18)7(2)14/h4-7,11H,3H2,1-2H3
InChIKeyGLVFXXXYJBWTAO-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.71
Rot. Bonds2

About 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole

5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole (PubChem CID 66110630) has the molecular formula C13H13Cl2FN2 and a molecular weight of 287.17 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
PubChem CID66110630
Molecular FormulaC13H13Cl2FN2
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)c(F)cc2n1C1CC1C
InChIInChI=1S/C13H13Cl2FN2/c1-6-3-11(6)18-12-5-9(16)8(15)4-10(12)17-13(18)7(2)14/h4-7,11H,3H2,1-2H3
InChIKeyGLVFXXXYJBWTAO-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 55071382
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 66112392
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5,6-dichloro-2-(1-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
CID 80716074
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83018618
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
CID 66088073
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
CID 66094060
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 66111400
5-chloro-2-(1-chloroethyl)-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazole
CID 114101190
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylpentan-2-yl)benzimidazole
CID 66111793
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2,3,3-trimethylbutyl)benzimidazole
CID 83142345
5-chloro-2-(1-chloroethyl)-1-(3-ethylpentan-2-yl)-6-fluorobenzimidazole
CID 66109853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole (CID 66110630) is 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole is CC(Cl)c1nc2cc(Cl)c(F)cc2n1C1CC1C.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
The InChIKey is GLVFXXXYJBWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN2/c1-6-3-11(6)18-12-5-9(16)8(15)4-10(12)17-13(18)7(2)14/h4-7,11H,3H2,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole?
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole has a molecular weight of 287.17 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole is sourced from PubChem (CID 66110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).